Author

Paramvir Ahlawat

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Preprint Jul 2026

Transformer Atomic Cluster Expansion: TRACE

Transformer Atomic Cluster Expansion (TRACE) is introduced, an energy-conserving architecture that combines atomic cluster expansion density correlations with local multihead cross-attention that captures multi-species crystallization, liquid structures, phase diagrams, and chemical reactivity.

Paramvir Ahlawat · 0 citations